Challenges with relativistic GW calculations in solids and molecules

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00043A, Paper
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Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Harsha Gaurav, Abraham Vibin, Dominika Zgid
For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic correlations but also for relativistic effects. In molecules, relativity can lead to severe...
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